[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-(1-methylpyrazol-4-yl)methanone

C10H12F3N3O2 — CID 113241015

IUPAC[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-(1-methylpyrazol-4-yl)methanone
SMILESCn1cc(C(=O)N2CCC(O)(C(F)(F)F)C2)cn1
InChIInChI=1S/C10H12F3N3O2/c1-15-5-7(4-14-15)8(17)16-3-2-9(18,6-16)10(11,12)13/h4-5,18H,2-3,6H2,1H3
InChIKeyVXKJFPNZXCLNDO-UHFFFAOYSA-N
MW263.22 g/mol
LogP0.56
Rot. Bonds1

About [3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-(1-methylpyrazol-4-yl)methanone

[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-(1-methylpyrazol-4-yl)methanone (PubChem CID 113241015) has the molecular formula C10H12F3N3O2 and a molecular weight of 263.22 g/mol. Its IUPAC name is [3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-(1-methylpyrazol-4-yl)methanone.

Molecular Properties

Compound Name[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-(1-methylpyrazol-4-yl)methanone
PubChem CID113241015
Molecular FormulaC10H12F3N3O2
Molecular Weight263.22 g/mol
Exact Mass263.09
IUPAC Name[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-(1-methylpyrazol-4-yl)methanone
SMILESCn1cc(C(=O)N2CCC(O)(C(F)(F)F)C2)cn1
InChIInChI=1S/C10H12F3N3O2/c1-15-5-7(4-14-15)8(17)16-3-2-9(18,6-16)10(11,12)13/h4-5,18H,2-3,6H2,1H3
InChIKeyVXKJFPNZXCLNDO-UHFFFAOYSA-N
XLogP0.56
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.22
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-(1-methylpyrazol-4-yl)methanone?
The IUPAC name of [3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-(1-methylpyrazol-4-yl)methanone (CID 113241015) is [3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-(1-methylpyrazol-4-yl)methanone.
What is the SMILES notation for [3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-(1-methylpyrazol-4-yl)methanone?
The canonical SMILES for [3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-(1-methylpyrazol-4-yl)methanone is Cn1cc(C(=O)N2CCC(O)(C(F)(F)F)C2)cn1.
What is the InChIKey of [3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-(1-methylpyrazol-4-yl)methanone?
The InChIKey is VXKJFPNZXCLNDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N3O2/c1-15-5-7(4-14-15)8(17)16-3-2-9(18,6-16)10(11,12)13/h4-5,18H,2-3,6H2,1H3.
What are the key properties of [3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-(1-methylpyrazol-4-yl)methanone?
[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-(1-methylpyrazol-4-yl)methanone has a molecular weight of 263.22 g/mol, XLogP of 0.56, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-(1-methylpyrazol-4-yl)methanone is sourced from PubChem (CID 113241015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).